CID 5312398

3e-tetradecenoic acid

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCCCCCC/C=C/CC(=O)O
InChI
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h11-12H,2-10,13H2,1H3,(H,15,16)/b12-11+
InChIKey
KYQLBACAKNAOOC-VAWYXSNFSA-N
Compound name
(E)-tetradec-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

226.19328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.20056 159.9
[M+Na]+ 249.18250 163.8
[M-H]- 225.18600 157.4
[M+NH4]+ 244.22710 177.5
[M+K]+ 265.15644 160.7
[M+H-H2O]+ 209.19054 154.2
[M+HCOO]- 271.19148 179.4
[M+CH3COO]- 285.20713 191.0
[M+Na-2H]- 247.16795 160.9
[M]+ 226.19273 163.1
[M]- 226.19383 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe